Molecule ID: mol13586

SMILES: Cc1cc(N)c(C)cn1

InChI: InChI=1S/C7H10N2/c1-5-4-9-6(2)3-7(5)8/h3-4H,1-2H3,(H2,8,9)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
9.68 Datawarrior 1 » 0
9.68 OCHEM 1 » 0
9.68 QSARToolbox 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization